UCSF

ZINC42425324

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 18 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) 1.07 3.99 -10.67 1 5 0 63 250.298 3
Hi High (pH 8-9.5) 1.07 3.02 -30.32 1 5 0 67 250.298 3
Mid Mid (pH 6-8) 1.07 5 -52.27 0 5 -1 65 249.29 3
Lo Low (pH 4.5-6) 1.07 2.25 -37.88 2 5 1 64 251.306 3

Activity (Go SEA)

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