UCSF

ZINC08036427

Substance Information

In ZINC since Heavy atoms Benign functionality
June 28th, 2006 25 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) 4.58 8.13 -41.11 2 4 1 43 338.427 7
Hi High (pH 8-9.5) 4.58 8.89 -37.77 1 4 0 46 337.419 7

Activity (Go SEA)

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