UCSF

ZINC22465953

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 15 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) 1.87 5.87 -32.86 2 2 1 16 205.325 2
Mid Mid (pH 6-8) 1.87 7.25 -109.2 3 2 2 21 206.333 2
Lo Low (pH 4.5-6) 1.87 5.6 -38.08 2 2 1 20 205.325 2

Activity (Go SEA)

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