UCSF

ZINC20076090

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 15 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) 1.29 5.84 -26.77 4 3 1 55 204.297 2
Hi High (pH 8-9.5) 1.29 5.88 -7.4 3 3 0 53 203.289 2

Activity (Go SEA)

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