UCSF

ZINC42601931

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 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) 0.91 1.18 -9.96 2 6 0 82 308.425 8
Lo Low (pH 4.5-6) 0.91 1.03 -54.56 3 6 1 83 309.433 8

Activity (Go SEA)

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