UCSF

ZINC12530340

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 23 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) 3.34 8.05 -46.43 3 4 1 55 308.405 6
Hi High (pH 8-9.5) 3.34 7.69 -8.88 2 4 0 50 307.397 6

Activity (Go SEA)

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