UCSF

ZINC21715353

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 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) 3.00 7.55 -47.03 3 5 0 84 287.363 6
Mid Mid (pH 6-8) 3.00 7.29 -55.88 2 5 -1 82 286.355 6

Activity (Go SEA)

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