UCSF

ZINC21641406

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 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) 3.84 7.4 -13.44 1 6 0 60 378.476 7
Lo Low (pH 4.5-6) 3.84 10.05 -87.39 3 6 2 62 380.492 7

Activity (Go SEA)

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