UCSF

ZINC52572761

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 13 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) 1.00 2.74 -32.03 2 3 1 29 189.323 8
Hi High (pH 8-9.5) 1.00 1.39 -1.7 1 3 0 24 188.315 8
Mid Mid (pH 6-8) 1.00 4.8 -107.37 3 3 2 30 190.331 8

Activity (Go SEA)

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