UCSF

ZINC01376844

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 32 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) 3.19 1.97 -25.78 0 7 0 76 442.91 5
Lo Low (pH 4.5-6) 3.19 12.02 -71.08 1 7 1 78 443.918 5

Activity (Go SEA)

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