UCSF

ZINC09271237

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 32 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 5.1 -58.77 0 8 -1 95 456.544 7
Mid Mid (pH 6-8) 1.42 7.37 -72.88 1 8 0 96 457.552 7

Activity (Go SEA)

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