UCSF

ZINC39969539

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 26 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) 2.86 11.48 -92.81 2 5 2 42 356.514 4
Hi High (pH 8-9.5) 2.86 9.12 -11.7 0 5 0 40 354.498 4
Mid Mid (pH 6-8) 2.86 9.32 -27.75 1 5 1 41 355.506 4
Mid Mid (pH 6-8) 2.86 11.28 -41.97 1 5 1 41 355.506 4

Activity (Go SEA)

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