UCSF

ZINC37871216

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 19 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) 1.70 8.12 -39.38 2 3 1 40 258.389 5
Lo Low (pH 4.5-6) 1.70 9.01 -112.4 3 3 2 45 259.397 5

Activity (Go SEA)

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