UCSF

ZINC19392519

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 17 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) -0.83 4.1 -52.76 2 6 -1 98 238.267 7
Mid Mid (pH 6-8) -0.83 4.61 -67.62 3 6 0 99 239.275 7

Activity (Go SEA)

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