UCSF

ZINC42809664

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 16 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) 1.31 -0.94 -10.04 2 5 0 76 245.3 5
Hi High (pH 8-9.5) 1.31 -0.89 -42.36 1 5 -1 78 244.292 5

Activity (Go SEA)

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