UCSF

ZINC37140851

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 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) 2.22 4.96 -33.21 3 3 1 37 247.362 4
Hi High (pH 8-9.5) 2.22 4.67 -30.66 2 3 0 43 246.354 4
Mid Mid (pH 6-8) 2.22 3.98 -40.22 3 3 1 40 247.362 4

Activity (Go SEA)

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