UCSF

ZINC41681628

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 18 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) 2.00 6.68 -86.41 3 3 2 24 257.466 9
Mid Mid (pH 6-8) 2.00 7.01 -79.8 3 3 2 24 257.466 9
Mid Mid (pH 6-8) 2.00 9.14 -170.21 4 3 3 25 258.474 9

Activity (Go SEA)

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