UCSF

ZINC04382584

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2005 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) 5.74 12.37 -9.8 1 3 0 29 321.468 5
Mid Mid (pH 6-8) 5.74 12.81 -24.74 2 3 1 31 322.476 5

Activity (Go SEA)

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