UCSF

ZINC13353601

Substance Information

In ZINC since Heavy atoms Benign functionality
June 17th, 2008 24 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) 4.17 11.98 -50.95 1 3 1 25 349.926 3
Hi High (pH 8-9.5) 4.17 9.72 -9.14 0 3 0 24 348.918 3

Activity (Go SEA)

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