UCSF

ZINC53375956

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 17 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) 2.06 7.61 -80.9 3 3 2 21 245.455 11
Hi High (pH 8-9.5) 2.06 5.48 -31.09 2 3 1 20 244.447 11

Activity (Go SEA)

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