UCSF

ZINC37374982

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 2.30 3.78 -33.44 2 5 1 48 297.419 10
Mid Mid (pH 6-8) 2.30 4.58 -33.19 2 5 1 44 297.419 10
Lo Low (pH 4.5-6) 2.30 5.91 -105.11 3 5 2 49 298.427 10

Activity (Go SEA)

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