UCSF

ZINC35500859

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 21 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) 4.62 8.09 -42.25 2 3 1 35 434.173 3
Mid Mid (pH 6-8) 4.62 7.15 -5.31 1 3 0 30 433.165 3

Activity (Go SEA)

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