UCSF

ZINC06733607

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2006 17 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) 2.18 7.16 -41.95 2 2 1 29 227.331 1
Lo Low (pH 4.5-6) 2.18 7.44 -102.42 3 2 2 31 228.339 1

Activity (Go SEA)

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