UCSF

ZINC21715331

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 25 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) 4.05 9.77 -55.8 2 5 0 70 335.407 7
Mid Mid (pH 6-8) 4.05 9.34 -54.56 1 5 -1 68 334.399 7

Activity (Go SEA)

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