UCSF

ZINC24829515

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2009 31 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) 3.24 12.39 -45.69 2 6 1 55 416.549 7
Hi High (pH 8-9.5) 3.24 10.08 -14.95 1 6 0 53 415.541 7

Activity (Go SEA)

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