UCSF

ZINC23129181

Substance Information

In ZINC since Heavy atoms Benign functionality
December 26th, 2008 19 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) 1.38 5.03 -45.97 2 4 1 37 268.425 3
Mid Mid (pH 6-8) 1.38 7.37 -108.65 3 4 2 38 269.433 3
Lo Low (pH 4.5-6) 1.38 4.85 -43.23 2 4 1 37 268.425 3

Activity (Go SEA)

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