UCSF

ZINC34824184

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 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) 1.46 8.94 -97.78 3 5 2 42 293.459 6
Mid Mid (pH 6-8) 1.46 6.73 -36.26 2 5 1 41 292.451 6

Activity (Go SEA)

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