UCSF

ZINC39038763

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 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) 2.60 2.24 -4.44 3 3 0 47 180.251 3
Lo Low (pH 4.5-6) 2.60 2.52 -33.96 4 3 1 52 181.259 3
Lo Low (pH 4.5-6) 2.60 2.12 -39.64 4 3 1 49 181.259 3

Activity (Go SEA)

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