UCSF

ZINC08581621

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2007 14 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) 0.71 2.98 -12.97 1 4 0 59 187.202 2
Mid Mid (pH 6-8) 1.17 0.74 -52.03 0 4 -1 62 186.194 2
Lo Low (pH 4.5-6) 0.71 3.05 -42.67 2 4 1 60 188.21 2

Activity (Go SEA)

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

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