UCSF

ZINC31962547

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 22 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) -0.20 2.4 -54.72 4 7 1 91 311.406 11
Mid Mid (pH 6-8) -0.20 2.82 -86.08 5 7 2 93 312.414 11

Activity (Go SEA)

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