UCSF

ZINC04494739

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2005 28 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) 2.27 8.03 -61.27 0 8 -1 115 381.364 7
Mid Mid (pH 6-8) 2.72 0.09 -31.36 1 8 0 112 382.372 6
Mid Mid (pH 6-8) 1.69 0.21 -18.73 0 8 0 109 382.372 7

Activity (Go SEA)

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