UCSF

ZINC44510347

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) 0.22 2.2 -40.39 3 3 1 40 213.345 3
Mid Mid (pH 6-8) 0.22 4 -30.59 3 3 1 40 213.345 3
Lo Low (pH 4.5-6) 0.22 4.32 -105.32 4 3 2 41 214.353 3

Activity (Go SEA)

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