UCSF

ZINC43967078

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 3.15 6.42 -31.85 2 4 1 35 299.479 7
Hi High (pH 8-9.5) 3.15 5.12 -2.11 1 4 0 34 298.471 7
Hi High (pH 8-9.5) 3.15 6.3 -36.4 2 4 1 38 299.479 7

Activity (Go SEA)

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