UCSF

ZINC34542119

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 26 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) 1.50 2.04 -38.04 3 7 1 88 356.402 4
Mid Mid (pH 6-8) 1.50 1.73 -14.37 2 7 0 86 355.394 4

Activity (Go SEA)

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