UCSF

ZINC15077432

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2008 29 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) 2.45 9.86 -112.37 3 6 2 56 403.567 7
Mid Mid (pH 6-8) 2.45 7.47 -41.86 2 6 1 55 402.559 7
Lo Low (pH 4.5-6) 2.45 7.59 -44.64 2 6 1 55 402.559 7

Activity (Go SEA)

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