UCSF

ZINC49469332

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2010 23 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) 1.79 7.22 -48.43 0 7 -1 88 314.321 4
Mid Mid (pH 6-8) 1.79 7.56 -37.72 1 7 0 89 315.329 4

Activity (Go SEA)

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