UCSF

ZINC13369980

Substance Information

In ZINC since Heavy atoms Benign functionality
June 17th, 2008 26 No

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) 5.98 10.51 -10.89 1 4 0 58 364.401 3
Ref Reference (pH 7) 5.98 10.11 -10.65 1 4 0 58 364.401 3
Mid Mid (pH 6-8) 5.49 9.96 -46.99 0 4 -1 57 363.393 4

Activity (Go SEA)

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