UCSF

ZINC21938327

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 34 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) 2.69 7.84 -57.86 3 7 1 69 462.618 7
Mid Mid (pH 6-8) 2.69 7.85 -53.38 3 7 1 69 462.618 7
Mid Mid (pH 6-8) 2.69 5.54 -16.79 2 7 0 68 461.61 7

Activity (Go SEA)

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