UCSF

ZINC17044293

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 20 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 7.65 -14.3 1 5 0 68 274.368 1
Hi High (pH 8-9.5) 2.26 7.06 -37.18 0 5 -1 71 273.36 1
Mid Mid (pH 6-8) 2.44 6.6 -42.08 2 5 1 74 275.376 1

Activity (Go SEA)

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