UCSF

ZINC09650288

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2007 24 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) 3.53 -1.98 -11.29 1 5 0 56 348.468 7
Mid Mid (pH 6-8) 3.53 -1.73 -29.31 2 5 1 57 349.476 7

Activity (Go SEA)

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