UCSF

ZINC04658581

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2005 27 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) 4.48 0.41 -12.91 1 5 0 75 369.461 5
Mid Mid (pH 6-8) 4.48 2.61 -7.73 1 5 0 75 369.461 5
Mid Mid (pH 6-8) 4.48 2.52 -30.56 1 5 0 75 369.461 5
Mid Mid (pH 6-8) 4.64 3.41 -31.87 1 5 0 75 369.461 5

Activity (Go SEA)

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