UCSF

ZINC42433525

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 12 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) 0.16 -0.28 -36.99 3 3 1 40 173.28 5
Mid Mid (pH 6-8) 0.16 1.56 -100.34 4 3 2 41 174.288 5

Activity (Go SEA)

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