UCSF

ZINC44612479

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 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) -3.29 1.39 -63.6 2 8 -1 126 254.222 4
Mid Mid (pH 6-8) -2.84 -0.46 -98.22 1 8 -2 129 253.214 4

Activity (Go SEA)

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