UCSF

ZINC45693894

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 15 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) 1.19 1.7 -2.48 1 3 0 24 212.337 1
Lo Low (pH 4.5-6) 1.19 4.96 -109.58 3 3 2 30 214.353 1
Lo Low (pH 4.5-6) 1.19 3.63 -31.46 2 3 1 26 213.345 1

Activity (Go SEA)

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