UCSF

ZINC34582250

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 16 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) 1.24 1.8 -30.42 3 4 1 47 231.36 8
Lo Low (pH 4.5-6) 1.24 2.94 -106.9 4 4 2 52 232.368 8

Activity (Go SEA)

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