UCSF

ZINC37390798

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 2.09 7.34 -103.15 4 3 2 41 278.44 7
Hi High (pH 8-9.5) 2.09 5.97 -36.4 3 3 1 37 277.432 7
Mid Mid (pH 6-8) 2.09 7.87 -40.83 3 3 1 44 277.432 7

Activity (Go SEA)

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