UCSF

ZINC37859111

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 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) 0.27 -1.55 -10.66 2 6 0 88 278.355 4
Mid Mid (pH 6-8) 0.73 -3.85 -42.48 1 6 -1 91 277.347 4

Activity (Go SEA)

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