UCSF

ZINC35776442

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 13 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) 0.34 -0.27 -2.12 1 3 0 24 184.283 1
Lo Low (pH 4.5-6) 0.34 1.82 -30.09 2 3 1 26 185.291 1
Lo Low (pH 4.5-6) 0.34 3.16 -105.61 3 3 2 30 186.299 1

Activity (Go SEA)

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