UCSF

ZINC09242548

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 26 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) 3.72 8.6 -20.4 1 6 0 73 369.446 7
Hi High (pH 8-9.5) 3.91 7.54 -45.54 0 6 -1 80 368.438 7

Activity (Go SEA)

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