UCSF

ZINC22795889

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 23 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) 3.53 8.73 -6.94 0 3 0 30 305.425 4
Mid Mid (pH 6-8) 3.53 10.37 -42.15 1 3 1 31 306.433 4

Activity (Go SEA)

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