UCSF

ZINC37797174

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 12 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) 0.11 0.84 -42.64 3 3 1 50 187.288 4
Mid Mid (pH 6-8) 0.11 -0.53 -5.72 2 3 0 45 186.28 4

Activity (Go SEA)

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