UCSF

ZINC32200536

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 22 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) 1.67 8.17 -51.48 0 5 -1 74 304.297 7
Lo Low (pH 4.5-6) 1.67 7.05 -12.44 1 5 0 71 305.305 7

Activity (Go SEA)

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