UCSF

ZINC00593090

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 30 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) 3.26 -1.68 -19.56 3 6 0 93 402.429 5
Mid Mid (pH 6-8) 3.26 -1.48 -45.83 4 6 1 95 403.437 5
Lo Low (pH 4.5-6) 3.26 -1.41 -102.27 5 6 2 96 404.445 5
Lo Low (pH 4.5-6) 3.26 -1.61 -36.46 4 6 1 95 403.437 5

Activity (Go SEA)

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