UCSF

ZINC55383146

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2010 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) 0.14 2.19 -43.43 4 6 1 90 311.793 5
Mid Mid (pH 6-8) 0.14 0 -13.04 3 6 0 88 310.785 5

Activity (Go SEA)

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