UCSF

ZINC37078539

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) 2.26 7.38 -123.68 4 2 2 32 230.355 4
Mid Mid (pH 6-8) 2.26 5.19 -48.08 3 2 1 31 229.347 4
Mid Mid (pH 6-8) 2.26 7.3 -31.34 3 2 1 30 229.347 4

Activity (Go SEA)

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