UCSF

ZINC32103723

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 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) 1.17 3.47 -44.76 2 4 1 46 249.334 4
Hi High (pH 8-9.5) 1.17 2.05 -8.07 1 4 0 42 248.326 4
Mid Mid (pH 6-8) 1.17 4.28 -35.5 2 4 1 43 249.334 4
Lo Low (pH 4.5-6) 1.17 5.68 -118.7 3 4 2 47 250.342 4

Activity (Go SEA)

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