UCSF

ZINC19850114

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) 3.91 8.48 -20.98 1 5 0 68 406.583 5
Hi High (pH 8-9.5) 4.10 7.54 -45.1 0 5 -1 74 405.575 5

Activity (Go SEA)

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