UCSF

ZINC37334197

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 1.75 6.55 -42.49 1 4 1 40 234.275 4
Hi High (pH 8-9.5) 1.75 4.14 -10.53 0 4 0 39 233.267 4

Activity (Go SEA)

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