UCSF

ZINC45699554

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 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) 2.55 7.18 -40.28 1 4 1 34 297.394 9
Hi High (pH 8-9.5) 2.55 6.72 -47.9 1 4 1 34 297.394 9
Hi High (pH 8-9.5) 2.55 4.72 -11.05 0 4 0 33 296.386 9
Lo Low (pH 4.5-6) 2.55 9.21 -118.16 2 4 2 35 298.402 9

Activity (Go SEA)

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