UCSF

ZINC34674119

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 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) 4.27 11.01 -38.72 1 3 1 37 287.427 7
Hi High (pH 8-9.5) 4.27 8.95 -8.44 0 3 0 36 286.419 7

Activity (Go SEA)

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