UCSF

ZINC62071089

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -0.24 -0.23 -10.44 0 6 0 59 280.39 8
Mid Mid (pH 6-8) -0.24 1.99 -44.59 1 6 1 60 281.398 8

Activity (Go SEA)

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