UCSF

ZINC19282164

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 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) 0.95 4.24 -40.47 2 4 1 35 251.35 4
Lo Low (pH 4.5-6) 0.95 3.66 -43.76 2 4 1 38 251.35 4
Lo Low (pH 4.5-6) 0.95 5.65 -118.02 3 4 2 40 252.358 4

Activity (Go SEA)

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