UCSF

ZINC22779977

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 29 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) 2.96 5.58 -11.1 1 6 0 54 417.937 8
Mid Mid (pH 6-8) 2.96 7.85 -46.6 2 6 1 55 418.945 8

Activity (Go SEA)

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