UCSF

ZINC37092861

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 13 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) 1.57 4.43 -30.88 2 2 1 16 183.319 2
Mid Mid (pH 6-8) 1.57 3.59 -37.58 2 2 1 20 183.319 2
Mid Mid (pH 6-8) 1.57 5.78 -98.99 3 2 2 21 184.327 2

Activity (Go SEA)

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