UCSF

ZINC40503789

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 20 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) 3.22 5.68 -41.11 2 4 1 51 382.731 4
Hi High (pH 8-9.5) 3.22 5.54 -36.35 1 4 0 53 381.723 4
Hi High (pH 8-9.5) 3.22 3.45 -6.5 1 4 0 49 381.723 4

Activity (Go SEA)

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