UCSF

ZINC19900132

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 22 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) 4.44 11.64 -34.05 1 2 1 8 301.498 4
Hi High (pH 8-9.5) 4.44 9.4 -1.6 0 2 0 6 300.49 4
Hi High (pH 8-9.5) 4.44 10.88 -34.36 1 2 1 8 301.498 4

Activity (Go SEA)

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