UCSF

ZINC22007826

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 16 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) -0.41 2.09 -50.67 3 5 1 67 242.324 3
Hi High (pH 8-9.5) -0.59 -0.91 -44.2 1 5 -1 72 240.308 3
Hi High (pH 8-9.5) -0.41 -0.12 -19.14 2 5 0 65 241.316 3
Mid Mid (pH 6-8) -0.59 1.02 -35.45 2 5 0 73 241.316 3

Activity (Go SEA)

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