UCSF

ZINC37107956

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 3.71 9.54 -104.4 3 3 2 30 292.467 5
Hi High (pH 8-9.5) 3.71 8.75 -34.68 2 3 1 26 291.459 5
Hi High (pH 8-9.5) 3.71 7.58 -38.88 2 3 1 29 291.459 5

Activity (Go SEA)

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