UCSF

ZINC37044720

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) 0.59 -0.36 -51.23 4 6 1 92 276.313 5
Hi High (pH 8-9.5) 0.59 -1.6 -53.44 2 6 -1 89 274.297 5
Mid Mid (pH 6-8) 0.59 -0.17 -74.22 3 6 0 94 275.305 5

Activity (Go SEA)

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