UCSF

ZINC59702834

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2011 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) 4.55 14.28 -35.98 2 3 1 31 354.477 7
Mid Mid (pH 6-8) 4.55 15.38 -114.5 3 3 2 36 355.485 7
Mid Mid (pH 6-8) 4.55 14.86 -48.4 2 3 1 34 354.477 7
Mid Mid (pH 6-8) 4.55 13.77 -8.42 1 3 0 30 353.469 7

Activity (Go SEA)

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