UCSF

ZINC42471564

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 0.53 -1.72 -10.31 2 5 0 78 257.311 2
Hi High (pH 8-9.5) 0.53 -0.95 -45.32 1 5 -1 81 256.303 2

Activity (Go SEA)

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