UCSF

ZINC32581058

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 2.69 6.57 -37.46 1 4 1 26 297.463 4
Mid Mid (pH 6-8) 2.69 4.96 -3.1 0 4 0 25 296.455 4
Mid Mid (pH 6-8) 2.69 6.74 -36.78 1 4 1 26 297.463 4
Lo Low (pH 4.5-6) 2.69 8.35 -104.33 2 4 2 27 298.471 4

Activity (Go SEA)

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