UCSF

ZINC19688377

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 19 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) 1.61 3.11 -49.73 4 4 1 60 262.377 3
Mid Mid (pH 6-8) 1.61 5.02 -42.03 4 4 1 60 262.377 3
Mid Mid (pH 6-8) 1.61 5.34 -112.37 5 4 2 61 263.385 3

Activity (Go SEA)

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