UCSF

ZINC39552338

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 24 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) 3.05 9.88 -38.71 2 3 1 29 322.476 5
Hi High (pH 8-9.5) 3.05 7.97 -4.4 1 3 0 28 321.468 5
Mid Mid (pH 6-8) 3.05 11.06 -132.01 3 3 2 34 323.484 5

Activity (Go SEA)

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