UCSF

ZINC37333898

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 12 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) 1.77 6.25 -35.62 1 2 1 22 184.284 4
Mid Mid (pH 6-8) 1.77 3.99 -6.56 0 2 0 20 183.276 4

Activity (Go SEA)

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