UCSF

ZINC39340788

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 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) 1.45 4.3 -49.22 0 4 -1 62 180.183 4
Lo Low (pH 4.5-6) 1.45 4.74 -30.38 1 4 0 63 181.191 4

Activity (Go SEA)

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