UCSF

ZINC44510251

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 15 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) 0.61 3.1 -26.32 4 4 1 61 208.285 4
Mid Mid (pH 6-8) 0.61 2.74 -7.57 3 4 0 60 207.277 4

Activity (Go SEA)

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