UCSF

ZINC19900028

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 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) 3.88 7.68 -30.24 1 2 1 8 239.427 4
Hi High (pH 8-9.5) 3.88 5.7 -0.31 0 2 0 6 238.419 4
Hi High (pH 8-9.5) 3.88 7.97 -32.31 1 2 1 8 239.427 4

Activity (Go SEA)

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