UCSF

ZINC25451998

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 22 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) 1.57 0.11 -22.83 3 6 0 106 344.389 5
Hi High (pH 8-9.5) 1.57 0.86 -98.03 1 6 -2 106 342.373 5
Hi High (pH 8-9.5) 1.57 0.79 -47.56 2 6 -1 104 343.381 5
Mid Mid (pH 6-8) 1.57 0.18 -58.91 2 6 -1 108 343.381 5

Activity (Go SEA)

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