UCSF

ZINC62169609

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2011 18 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) 2.95 8.35 -39.25 2 2 1 29 241.358 5
Mid Mid (pH 6-8) 2.95 7.48 -3.72 1 2 0 25 240.35 5

Activity (Go SEA)

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