UCSF

ZINC37051876

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 1.64 8.01 -33.91 2 4 1 34 279.452 6
Hi High (pH 8-9.5) 1.64 5.88 -5.78 1 4 0 33 278.444 6
Mid Mid (pH 6-8) 1.65 8.61 -118.63 3 4 2 39 280.46 6

Activity (Go SEA)

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