UCSF

ZINC22455271

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 18 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) 3.27 7.67 -30.42 1 2 1 8 273.803 7
Hi High (pH 8-9.5) 3.27 5.49 -3.03 0 2 0 6 272.795 7
Mid Mid (pH 6-8) 3.27 7.57 -32.33 1 2 1 8 273.803 7
Lo Low (pH 4.5-6) 3.27 9.95 -100.74 2 2 2 9 274.811 7

Activity (Go SEA)

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