UCSF

ZINC24243847

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2009 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) 1.06 5.7 -33.84 2 6 1 57 353.531 7
Hi High (pH 8-9.5) 1.06 3.54 -13.89 1 6 0 56 352.523 7
Mid Mid (pH 6-8) 1.06 5.75 -33.74 2 6 1 57 353.531 7
Lo Low (pH 4.5-6) 1.06 8.48 -108.63 3 6 2 58 354.539 7

Activity (Go SEA)

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