UCSF

ZINC43390210

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 3.35 7.23 -52.28 3 2 1 31 307.82 5
Lo Low (pH 4.5-6) 3.35 9.2 -138.71 4 2 2 32 308.828 5

Activity (Go SEA)

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