UCSF

ZINC43909583

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) 2.90 6.65 -30.15 2 4 1 35 299.479 6
Hi High (pH 8-9.5) 2.90 6.26 -1.83 1 4 0 34 298.471 6
Hi High (pH 8-9.5) 2.90 7.07 -34.05 2 4 1 38 299.479 6

Activity (Go SEA)

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