UCSF

ZINC19232594

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 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) 1.09 0.98 -52.49 1 6 -1 96 292.358 8
Hi High (pH 8-9.5) 1.09 0.56 -99.29 0 6 -2 98 291.35 8

Activity (Go SEA)

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