UCSF

ZINC34654407

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 18 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) 1.76 5.86 -43.52 3 3 1 44 242.346 5
Lo Low (pH 4.5-6) 1.76 6.32 -88.88 4 3 2 45 243.354 5

Activity (Go SEA)

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