UCSF

ZINC19965202

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 20 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) 1.76 6.06 -40.96 2 5 1 46 284.424 5
Mid Mid (pH 6-8) 1.76 4.88 -48.43 2 5 1 49 284.424 5
Lo Low (pH 4.5-6) 1.76 7.23 -116.76 3 5 2 51 285.432 5

Activity (Go SEA)

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