UCSF

ZINC02667864

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2004 33 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) 2.71 9.03 -39.77 2 9 1 101 453.519 9
Mid Mid (pH 6-8) 2.71 9.42 -39.72 3 9 1 105 453.519 9
Mid Mid (pH 6-8) 2.53 8.73 -17.05 2 9 0 100 452.511 9

Activity (Go SEA)

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