UCSF

ZINC31963599

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 14 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) 0.52 1.64 -53.03 4 4 1 70 214.314 4
Hi High (pH 8-9.5) 0.71 0.6 -55.87 3 4 0 76 213.306 4

Activity (Go SEA)

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