UCSF

ZINC04161693

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 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) 5.47 10.11 -11.78 2 4 0 50 337.467 5
Mid Mid (pH 6-8) 5.47 10.63 -25.58 3 4 1 51 338.475 5

Activity (Go SEA)

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