UCSF

ZINC41685188

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 18 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) 1.41 4.57 -51.16 2 6 1 82 256.326 10
Hi High (pH 8-9.5) 1.41 3.2 -8.48 1 6 0 77 255.318 10

Activity (Go SEA)

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