UCSF

ZINC12844351

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2008 32 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) 3.66 11.04 -42.51 3 7 1 78 488.321 7
Mid Mid (pH 6-8) 3.84 10.94 -44.29 3 7 1 82 488.321 7
Mid Mid (pH 6-8) 3.84 11.45 -84.83 4 7 2 83 489.329 7
Mid Mid (pH 6-8) 3.66 10.53 -16.69 2 7 0 77 487.313 7

Activity (Go SEA)

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