UCSF

ZINC21746064

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 23 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) 2.38 6.93 -29.08 2 6 0 88 332.429 4
Mid Mid (pH 6-8) 2.45 5.7 -54.65 1 6 -1 94 331.421 4

Activity (Go SEA)

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