UCSF

ZINC32089913

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 17 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) 2.67 7.7 -112.64 4 2 2 32 236.403 7
Mid Mid (pH 6-8) 2.67 5.75 -43.59 3 2 1 31 235.395 7

Activity (Go SEA)

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