UCSF

ZINC13718950

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 24 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) 4.56 6.29 -13.17 1 5 0 67 335.388 2
Ref Reference (pH 7) 3.63 7.05 -13.61 1 5 0 64 335.388 3
Hi High (pH 8-9.5) 3.70 5.44 -48.9 0 5 -1 70 334.38 3

Activity (Go SEA)

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