UCSF

ZINC61652480

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2011 16 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) 0.48 2.01 -84.47 4 4 2 39 230.4 5
Hi High (pH 8-9.5) 0.48 -0.47 -37.71 3 4 1 37 229.392 5
Mid Mid (pH 6-8) 0.48 3.84 -177.55 5 4 3 40 231.408 5

Activity (Go SEA)

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