UCSF

ZINC09373833

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 36 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) 4.99 13.01 -62.55 0 6 -1 79 482.556 6
Mid Mid (pH 6-8) 5.44 11.57 -18.92 1 6 0 76 483.564 5

Activity (Go SEA)

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