UCSF

ZINC40848537

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 38 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) 4.15 14.32 -54.38 3 7 1 86 516.71 10

Activity (Go SEA)

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