UCSF

ZINC45189438

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2010 22 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) 3.96 9.04 -7.65 1 3 0 49 287.366 3
Mid Mid (pH 6-8) 3.96 9.46 -38.34 2 3 1 50 288.374 3

Activity (Go SEA)

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