UCSF

ZINC19877296

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 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) 3.82 9.37 -31.28 1 2 1 8 279.492 2
Mid Mid (pH 6-8) 3.82 9.18 -32.87 1 2 1 8 279.492 2
Lo Low (pH 4.5-6) 3.82 11.59 -101.48 2 2 2 9 280.5 2

Activity (Go SEA)

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