UCSF

ZINC42747334

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 19 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) 1.77 4.83 -115.59 4 4 2 51 272.433 3
Hi High (pH 8-9.5) 1.77 3.51 -41.28 3 4 1 49 271.425 3
Hi High (pH 8-9.5) 1.77 4.58 -29.84 3 4 1 49 271.425 3

Activity (Go SEA)

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