UCSF

ZINC43461492

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) 1.92 7.96 -95.19 3 4 2 34 295.402 5
Hi High (pH 8-9.5) 1.92 5.53 -41.4 2 4 1 32 294.394 5
Hi High (pH 8-9.5) 1.92 6.27 -39.83 2 4 1 29 294.394 5

Activity (Go SEA)

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