UCSF

ZINC19219725

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 28 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) 2.59 7.64 -47.72 1 6 1 54 381.5 6
Mid Mid (pH 6-8) 2.59 7.68 -48.55 1 6 1 54 381.5 6
Mid Mid (pH 6-8) 2.59 5.3 -10.03 0 6 0 53 380.492 6

Activity (Go SEA)

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