UCSF

ZINC13123549

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 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) 3.36 11.78 -12.92 1 7 0 78 342.399 7
Mid Mid (pH 6-8) 3.53 11.57 -37.66 0 7 -1 80 341.391 7
Lo Low (pH 4.5-6) 3.53 12.23 -52.34 2 7 1 83 343.407 7

Activity (Go SEA)

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