UCSF

ZINC42251601

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 15 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) 1.96 6.55 -33.82 1 4 1 40 218.317 9
Mid Mid (pH 6-8) 1.96 4.42 -6.93 0 4 0 39 217.309 9

Activity (Go SEA)

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