UCSF

ZINC43240882

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 3.00 6 -41.42 3 2 1 31 267.462 7
Hi High (pH 8-9.5) 3.00 7.73 -28.49 3 2 1 30 267.462 7
Hi High (pH 8-9.5) 3.00 5.68 -2.09 2 2 0 29 266.454 7
Lo Low (pH 4.5-6) 3.00 8.09 -106.23 4 2 2 32 268.47 7

Activity (Go SEA)

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