UCSF

ZINC41680470

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 17 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) 1.97 8 -79.2 3 3 2 24 243.439 6
Mid Mid (pH 6-8) 1.97 7.58 -88.23 3 3 2 21 243.439 6
Mid Mid (pH 6-8) 1.97 8.73 -173 4 3 3 25 244.447 6

Activity (Go SEA)

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