UCSF

ZINC42454622

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 13 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) 0.07 6.52 -9.38 0 4 0 53 176.223 4
Lo Low (pH 4.5-6) 0.07 7.01 -39.67 1 4 1 54 177.231 4

Activity (Go SEA)

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