UCSF

ZINC37786552

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 4.03 6.59 -31.96 3 3 1 37 291.459 4
Lo Low (pH 4.5-6) 4.03 7.45 -104.2 4 3 2 41 292.467 4

Activity (Go SEA)

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