UCSF

ZINC53129858

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 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) 1.48 3.9 -45.24 2 5 1 68 247.322 6
Hi High (pH 8-9.5) 1.48 2.7 -7.37 1 5 0 64 246.314 6
Lo Low (pH 4.5-6) 1.48 4.37 -87.97 3 5 2 70 248.33 6

Activity (Go SEA)

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