UCSF

ZINC40175316

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 17 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) 1.69 5.72 -51.88 2 3 1 33 232.282 1
Hi High (pH 8-9.5) 1.69 4.24 -6.81 1 3 0 28 231.274 1
Mid Mid (pH 6-8) 1.69 6.15 -90.76 3 3 2 34 233.29 1

Activity (Go SEA)

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