UCSF

ZINC04791429

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2006 28 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) 2.96 6.97 -12.37 2 7 0 93 381.432 7
Mid Mid (pH 6-8) 3.41 5.16 -46.08 1 7 -1 96 380.424 7
Mid Mid (pH 6-8) 3.02 5.66 -47.62 3 7 1 98 382.44 7
Mid Mid (pH 6-8) 3.48 2.49 -38.28 1 7 -1 100 380.424 7

Activity (Go SEA)

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