UCSF

ZINC40089748

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 24 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) 2.66 7.89 -40.58 2 4 1 37 328.411 4
Mid Mid (pH 6-8) 2.66 7.77 -42.79 2 4 1 37 328.411 4
Mid Mid (pH 6-8) 2.66 5.51 -11.27 1 4 0 36 327.403 4

Activity (Go SEA)

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