UCSF

ZINC42433516

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 11 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) -0.12 1.28 -104.93 4 3 2 41 160.261 4
Mid Mid (pH 6-8) -0.12 -0.16 -29.52 3 3 1 37 159.253 4
Mid Mid (pH 6-8) -0.12 -0.82 -37.98 3 3 1 40 159.253 4

Activity (Go SEA)

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