UCSF

ZINC06495088

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2006 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) 3.54 2.4 -15.73 3 5 0 79 385.504 0
Hi High (pH 8-9.5) 3.54 3.18 -46.61 2 5 -1 82 384.496 0

Activity (Go SEA)

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