UCSF

ZINC20146580

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 18 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) 0.89 4.71 -47.3 2 4 1 48 251.35 8
Hi High (pH 8-9.5) 0.89 3.28 -7.85 1 4 0 43 250.342 8

Activity (Go SEA)

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