UCSF

ZINC19889075

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 19 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) 1.23 2.58 -34.59 2 4 1 31 270.441 5
Hi High (pH 8-9.5) 1.23 2.3 -35.1 2 4 1 31 270.441 5
Mid Mid (pH 6-8) 1.23 4.15 -79.43 3 4 2 32 271.449 5
Lo Low (pH 4.5-6) 1.23 4.54 -101.37 3 4 2 32 271.449 5

Activity (Go SEA)

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