UCSF

ZINC23313654

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2008 28 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) 7.19 12.82 -8.73 0 4 0 38 377.532 10
Mid Mid (pH 6-8) 7.19 13.14 -25.84 1 4 1 40 378.54 10

Activity (Go SEA)

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