UCSF

ZINC21641098

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 9.23 -11.97 1 4 0 42 374.484 6
Mid Mid (pH 6-8) 3.84 11.62 -51.53 2 4 1 43 375.492 6

Activity (Go SEA)

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