UCSF

ZINC32130088

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 19 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) 0.86 1.47 -46.71 3 5 1 74 285.389 4
Hi High (pH 8-9.5) 0.86 -0.1 -10.43 2 5 0 70 284.381 4

Activity (Go SEA)

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