UCSF

ZINC31966001

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 18 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) 1.37 3.88 -57.44 2 6 -1 94 250.278 6
Lo Low (pH 4.5-6) 1.37 2.76 -17.67 3 6 0 91 251.286 6

Activity (Go SEA)

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