UCSF

ZINC08791974

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2007 19 Yes

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) 1.17 7.75 -45.71 2 5 1 65 255.301 3
Mid Mid (pH 6-8) 1.17 7.29 -17.24 1 5 0 64 254.293 3
Mid Mid (pH 6-8) 1.17 7.26 -16.18 1 5 0 64 254.293 3

Activity (Go SEA)

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

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