UCSF

ZINC34562042

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 15 No

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) -0.29 -2.81 -42.17 4 8 -1 155 232.197 2
Mid Mid (pH 6-8) -0.29 -3.81 -14.84 5 8 0 152 233.205 2

Activity (Go SEA)

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