UCSF

ZINC37799539

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 0.42 2.22 -44.17 3 5 1 60 284.424 5
Hi High (pH 8-9.5) 0.42 1.92 -7.13 2 5 0 59 283.416 5
Mid Mid (pH 6-8) 0.42 4.53 -99.05 4 5 2 62 285.432 5

Activity (Go SEA)

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