UCSF

ZINC35387676

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 18 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) -1.05 8.22 -42.68 2 5 0 75 245.282 5
Mid Mid (pH 6-8) -1.05 8.78 -71.09 3 5 1 76 246.29 5

Activity (Go SEA)

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