UCSF

ZINC32050342

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 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) -0.29 3.12 -99.95 4 5 2 56 284.448 3
Hi High (pH 8-9.5) -0.29 5.38 -175.95 5 5 3 57 285.456 3
Mid Mid (pH 6-8) -0.29 2.96 -96.76 4 5 2 56 284.448 3

Activity (Go SEA)

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