UCSF

ZINC37084113

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 2.17 5.11 -124.03 4 4 2 51 280.412 6
Hi High (pH 8-9.5) 2.17 4.75 -32.6 3 4 1 49 279.404 6
Mid Mid (pH 6-8) 2.17 2.86 -42.88 3 4 1 49 279.404 6

Activity (Go SEA)

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