UCSF

ZINC21812428

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 4.35 10.95 -44.12 2 2 1 16 303.857 6
Lo Low (pH 4.5-6) 4.35 11.89 -130.86 3 2 2 21 304.865 6

Activity (Go SEA)

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