UCSF

ZINC04382135

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) 4.40 10.89 -9.69 1 5 0 56 388.265 6
Mid Mid (pH 6-8) 4.40 11.32 -31.21 2 5 1 57 389.273 6

Activity (Go SEA)

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