UCSF

ZINC31961724

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) 0.85 3.9 -49.79 1 7 -1 95 306.342 5
Mid Mid (pH 6-8) 0.85 4.2 -66.27 2 7 0 96 307.35 5
Lo Low (pH 4.5-6) 0.85 3.08 -42.48 3 7 1 93 308.358 5

Activity (Go SEA)

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