UCSF

ZINC27020604

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 25 No

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) 1.87 4.88 -25.83 2 6 0 80 358.467 4
Lo Low (pH 4.5-6) 1.87 5.81 -40.65 3 6 1 81 359.475 4

Activity (Go SEA)

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