UCSF

ZINC37051812

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) 1.43 8.99 -110.41 3 4 2 39 292.471 5
Hi High (pH 8-9.5) 1.43 6.74 -41.56 2 4 1 38 291.463 5
Mid Mid (pH 6-8) 1.43 7.61 -37.51 2 4 1 34 291.463 5

Activity (Go SEA)

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