UCSF

ZINC37856488

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 0.87 2.3 -49.99 3 4 1 49 283.367 7
Hi High (pH 8-9.5) 0.87 0.9 -5.98 2 4 0 45 282.359 7
Lo Low (pH 4.5-6) 0.87 4.58 -117.08 4 4 2 51 284.375 7

Activity (Go SEA)

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