UCSF

ZINC20880511

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 19 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) 4.27 8.12 -55.63 1 3 -1 52 319.178 4
Lo Low (pH 4.5-6) 4.27 7.01 -10.15 2 3 0 49 320.186 4

Activity (Go SEA)

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