UCSF

ZINC22656384

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 25 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) 3.12 13.67 -57.02 1 6 1 51 339.467 8
Hi High (pH 8-9.5) 3.12 11.47 -11.51 0 6 0 50 338.459 8

Activity (Go SEA)

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