UCSF

ZINC42862553

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 15 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) 1.02 2.08 -41.24 3 3 1 44 226.369 5
Hi High (pH 8-9.5) 1.02 3.58 -26.69 3 3 1 43 226.369 5
Lo Low (pH 4.5-6) 1.02 4.02 -112.6 4 3 2 45 227.377 5

Activity (Go SEA)

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