UCSF

ZINC31960858

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -0.18 1.53 -49.8 5 5 1 82 221.284 4
Mid Mid (pH 6-8) -0.18 1.21 -13.65 4 5 0 80 220.276 4

Activity (Go SEA)

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