UCSF

ZINC40503781

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) 3.35 5.93 -41.74 2 4 1 51 427.182 4
Hi High (pH 8-9.5) 3.35 5.72 -37.63 1 4 0 53 426.174 4
Hi High (pH 8-9.5) 3.35 3.71 -6.83 1 4 0 49 426.174 4

Activity (Go SEA)

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