UCSF

ZINC35410747

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 17 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) -1.45 -0.41 -54.5 2 7 -1 119 279.319 5
Mid Mid (pH 6-8) -0.99 -2.97 -97.34 1 7 -2 122 278.311 5

Activity (Go SEA)

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