UCSF

ZINC32157990

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 21 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) 1.30 1.84 -6.79 1 5 0 43 294.395 9
Mid Mid (pH 6-8) 1.30 3.24 -46.74 2 5 1 48 295.403 9
Lo Low (pH 4.5-6) 1.30 4.16 -39.95 2 5 1 44 295.403 9

Activity (Go SEA)

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