UCSF

ZINC09186800

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 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) 2.45 5.53 -60.14 0 8 -1 95 439.488 9
Mid Mid (pH 6-8) 2.89 8.45 -50.92 2 8 1 94 441.504 8
Mid Mid (pH 6-8) 2.45 7.92 -72.44 1 8 0 96 440.496 9

Activity (Go SEA)

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