UCSF

ZINC32048301

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 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) 1.88 4.85 -131.73 5 4 2 62 268.401 8
Mid Mid (pH 6-8) 1.88 2.68 -51.52 4 4 1 60 267.393 8

Activity (Go SEA)

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