UCSF

ZINC34937351

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 17 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) 3.08 7.83 -34.34 2 2 1 16 233.379 6
Lo Low (pH 4.5-6) 3.08 9.04 -114.63 3 2 2 21 234.387 6

Activity (Go SEA)

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