UCSF

ZINC44518386

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 14 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) 0.16 3.15 -97.46 4 4 2 50 201.314 4
Mid Mid (pH 6-8) 0.16 1.78 -38.18 3 4 1 46 200.306 4

Activity (Go SEA)

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