UCSF

ZINC61819232

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 15 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) 2.68 6.32 -28.24 3 2 1 30 205.325 1
Hi High (pH 8-9.5) 2.68 5.64 -2.69 2 2 0 29 204.317 1

Activity (Go SEA)

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