UCSF

ZINC29338734

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2009 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) 0.21 8.99 -93.62 1 7 0 83 334.351 3
Mid Mid (pH 6-8) 0.21 6.51 -58.99 0 7 -1 82 333.343 3
Lo Low (pH 4.5-6) -3.37 7.88 -88.14 2 7 1 86 335.359 2

Activity (Go SEA)

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