UCSF

ZINC21632220

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 31 No

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) 3.41 4.95 -48.2 1 10 -1 149 462.485 8
Hi High (pH 8-9.5) 3.41 5.02 -101.48 0 10 -2 152 461.477 8
Mid Mid (pH 6-8) 3.41 4.88 -23.09 2 10 0 147 463.493 8

Activity (Go SEA)

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