UCSF

ZINC55225010

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2010 23 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) -0.99 7.52 -61.28 2 7 0 92 316.361 7
Mid Mid (pH 6-8) -0.99 7.17 -48.96 1 7 -1 90 315.353 7
Lo Low (pH 4.5-6) -0.99 5.53 -35.86 3 7 1 89 317.369 7

Activity (Go SEA)

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