UCSF

ZINC55576151

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2010 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) 1.03 7.91 -48.29 1 6 0 72 303.362 8
Mid Mid (pH 6-8) 1.03 6.78 -56.73 0 6 -1 70 302.354 8

Activity (Go SEA)

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