UCSF

ZINC37806208

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 0.72 2.75 -47.71 3 6 1 69 297.423 6
Hi High (pH 8-9.5) 0.72 1.53 -13.89 2 6 0 65 296.415 6
Mid Mid (pH 6-8) 0.72 4.88 -105.62 4 6 2 70 298.431 6

Activity (Go SEA)

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