UCSF

ZINC31960445

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 18 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) -0.17 -0.97 -55.99 6 6 1 102 253.326 8
Mid Mid (pH 6-8) -0.17 -1.36 -20.2 5 6 0 100 252.318 8

Activity (Go SEA)

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