UCSF

ZINC32565183

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) 1.99 5.65 -34.73 1 4 1 20 296.479 4
Hi High (pH 8-9.5) 1.99 3.83 -2.14 0 4 0 19 295.471 4
Mid Mid (pH 6-8) 1.99 7.2 -81.58 2 4 2 21 297.487 4
Mid Mid (pH 6-8) 1.99 5.55 -32.93 1 4 1 20 296.479 4

Activity (Go SEA)

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