UCSF

ZINC21938531

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 27 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) 1.22 2.9 -17.12 1 7 0 65 372.469 4
Mid Mid (pH 6-8) 1.22 5.24 -56.06 2 7 1 66 373.477 4

Activity (Go SEA)

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