UCSF

ZINC22022998

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 22 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) 1.35 6.01 -47.77 1 6 1 52 307.37 6
Mid Mid (pH 6-8) 1.35 6.02 -47.81 1 6 1 52 307.37 6
Mid Mid (pH 6-8) 1.35 3.69 -9.65 0 6 0 51 306.362 6

Activity (Go SEA)

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