UCSF

ZINC32119979

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 20 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) 1.52 3.11 -7.99 2 4 0 54 272.348 7
Mid Mid (pH 6-8) 1.52 4.51 -42.04 3 4 1 59 273.356 7
Lo Low (pH 4.5-6) 1.52 4.89 -116.75 4 4 2 60 274.364 7

Activity (Go SEA)

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