UCSF

ZINC42945463

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 21 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) 4.09 7.76 -44.87 3 2 1 31 307.889 3
Hi High (pH 8-9.5) 4.09 8.94 -35.76 3 2 1 30 307.889 3

Activity (Go SEA)

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