UCSF

ZINC01549487

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2005 22 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) 1.47 2.47 -39.95 1 7 1 66 308.406 6
Mid Mid (pH 6-8) -3.02 2.75 -85.69 2 7 2 68 309.414 6

Activity (Go SEA)

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