UCSF

ZINC43893581

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 21 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) 2.70 7.92 -38 2 3 1 33 284.427 7
Hi High (pH 8-9.5) 2.70 6.3 -4.32 1 3 0 28 283.419 7
Lo Low (pH 4.5-6) 2.70 9.83 -128.06 3 3 2 34 285.435 7

Activity (Go SEA)

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