UCSF

ZINC35457176

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 28 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) 2.72 4.32 -15.41 1 7 0 71 389.496 7
Mid Mid (pH 6-8) 2.72 6.58 -49.8 2 7 1 72 390.504 7

Activity (Go SEA)

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