UCSF

ZINC37201993

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 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) 2.43 7.49 -35.47 2 4 1 33 285.481 10
Hi High (pH 8-9.5) 2.43 5.37 -4.99 1 4 0 31 284.473 10
Lo Low (pH 4.5-6) 2.43 7.94 -72.23 3 4 2 34 286.489 10
Lo Low (pH 4.5-6) 2.43 8.82 -114.09 3 4 2 37 286.489 10

Activity (Go SEA)

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