UCSF

ZINC20555243

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 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) 3.50 9.47 -105.14 3 2 2 21 242.451 7
Hi High (pH 8-9.5) 3.50 7.17 -37.5 2 2 1 20 241.443 7
Hi High (pH 8-9.5) 3.50 8.16 -32.87 2 2 1 16 241.443 7

Activity (Go SEA)

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