UCSF

ZINC08520330

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2006 22 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.40 9.95 -10.28 1 4 0 59 288.306 2
Ref Reference (pH 7) 3.40 9.5 -13.57 1 4 0 59 288.306 2
Mid Mid (pH 6-8) 3.40 10.35 -37.81 2 4 1 60 289.314 2
Mid Mid (pH 6-8) 3.40 10.11 -19.02 1 4 0 59 288.306 2
Lo Low (pH 4.5-6) 3.40 9.97 -47.16 2 4 1 60 289.314 2

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.