UCSF

ZINC21638451

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 25 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) 0.68 9.09 -87.81 2 7 2 58 348.495 4
Hi High (pH 8-9.5) 0.68 4.5 -6.94 0 7 0 56 346.479 4
Mid Mid (pH 6-8) 0.68 6.81 -40.64 1 7 1 57 347.487 4
Mid Mid (pH 6-8) 0.68 6.78 -45.06 1 7 1 57 347.487 4

Activity (Go SEA)

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