UCSF

ZINC37075346

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 4.94 8.61 -42.51 3 2 1 37 323.243 5
Hi High (pH 8-9.5) 4.94 8.3 -37.02 1 2 -1 35 321.227 5
Mid Mid (pH 6-8) 4.94 9.37 -28.52 2 2 0 40 322.235 5

Activity (Go SEA)

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