UCSF

ZINC37044683

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 1.12 1.36 -47.3 4 6 1 92 316.378 4
Hi High (pH 8-9.5) 1.12 0.2 -52.42 2 6 -1 89 314.362 4
Mid Mid (pH 6-8) 1.12 1.56 -68.14 3 6 0 94 315.37 4

Activity (Go SEA)

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