UCSF

ZINC32657447

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.46 3.64 -25.77 2 5 0 71 277.368 7
Lo Low (pH 4.5-6) 1.46 4.02 -51.33 3 5 1 72 278.376 7

Activity (Go SEA)

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