UCSF

ZINC32208237

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 21 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) 1.79 8.07 -49.18 0 5 -1 74 306.725 6
Lo Low (pH 4.5-6) 1.79 6.95 -12.08 1 5 0 71 307.733 6

Activity (Go SEA)

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