UCSF

ZINC44693120

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 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) 0.14 1.63 -55.32 4 6 1 89 239.299 3
Hi High (pH 8-9.5) 0.14 0.42 -16.08 3 6 0 84 238.291 3

Activity (Go SEA)

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