UCSF

ZINC05689608

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 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) 3.13 7.61 -8.76 0 2 0 26 238.315 2
Lo Low (pH 4.5-6) 3.13 7.82 -37.3 1 2 1 27 239.323 2

Activity (Go SEA)

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