UCSF

ZINC32500174

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 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) 1.28 6.37 -52.54 1 5 -1 76 271.296 3
Lo Low (pH 4.5-6) 1.28 5.25 -15.78 2 5 0 73 272.304 3

Activity (Go SEA)

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