UCSF

ZINC22929870

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 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) 0.36 5.6 -45.98 1 6 1 52 305.354 3
Mid Mid (pH 6-8) 0.36 5.69 -49.31 1 6 1 52 305.354 3
Mid Mid (pH 6-8) 0.36 3.37 -12.2 0 6 0 51 304.346 3

Activity (Go SEA)

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