UCSF

ZINC19729175

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 17 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) 1.78 4.29 -42.24 2 3 1 29 235.351 4
Lo Low (pH 4.5-6) 1.78 6.35 -112.93 3 3 2 30 236.359 4
Lo Low (pH 4.5-6) 1.78 4.95 -28.87 2 3 1 26 235.351 4

Activity (Go SEA)

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