UCSF

ZINC00393794

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2005 13 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) 1.48 6.47 -31.06 1 2 1 17 177.271 2
Lo Low (pH 4.5-6) 1.48 6.74 -98.22 2 2 2 19 178.279 2

Activity (Go SEA)

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