UCSF

ZINC04911460

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 27 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) 2.25 6.49 -12.67 2 8 0 94 388.449 7
Mid Mid (pH 6-8) 2.25 6.96 -35.44 3 8 1 96 389.457 7

Activity (Go SEA)

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