UCSF

ZINC19810315

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 26 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) 1.42 4.61 -13.37 0 7 0 75 355.394 4
Mid Mid (pH 6-8) 1.42 6.95 -43.91 1 7 1 77 356.402 4

Activity (Go SEA)

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