UCSF

ZINC21261341

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 28 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) 4.05 10.25 -10.36 1 5 0 50 382.414 5
Lo Low (pH 4.5-6) 4.05 10.72 -33.92 2 5 1 52 383.422 5

Activity (Go SEA)

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