UCSF

ZINC42409339

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 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) 4.21 9.16 -101.54 3 2 2 21 254.462 6
Hi High (pH 8-9.5) 4.21 7.7 -30.94 2 2 1 16 253.454 6
Hi High (pH 8-9.5) 4.21 7.01 -37.89 2 2 1 20 253.454 6

Activity (Go SEA)

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