UCSF

ZINC19834296

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 14 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) -0.07 0.57 -34.91 4 4 1 68 193.274 5
Mid Mid (pH 6-8) -2.98 3.2 -29.76 5 4 1 69 193.274 5
Lo Low (pH 4.5-6) -0.07 1.29 -78 5 4 2 69 194.282 5

Activity (Go SEA)

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