UCSF

ZINC34654563

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 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) 0.84 4.06 -46.96 3 5 1 54 291.419 5
Mid Mid (pH 6-8) 0.84 6.42 -93.41 4 5 2 56 292.427 5

Activity (Go SEA)

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