UCSF

ZINC32197329

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 34 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) 3.59 7.19 -51.79 1 8 -1 107 498.503 8
Mid Mid (pH 6-8) 3.59 7.18 -17.19 2 8 0 105 499.511 8

Activity (Go SEA)

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