UCSF

ZINC09726984

Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 2007 24 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) 5.12 -0.73 -12.12 1 4 0 42 340.858 3
Mid Mid (pH 6-8) 5.12 -0.53 -28.13 2 4 1 43 341.866 3

Activity (Go SEA)

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