UCSF

ZINC22149107

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 18 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) -0.99 6.11 -68.44 3 6 0 99 251.286 5
Mid Mid (pH 6-8) -0.99 4.59 -69.88 2 6 -1 98 250.278 5

Activity (Go SEA)

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