UCSF

ZINC21984349

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 9 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) 1.29 4.26 -26.93 2 2 1 30 125.195 1
Mid Mid (pH 6-8) 1.29 3.81 -6 1 2 0 29 124.187 1

Activity (Go SEA)

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