UCSF

ZINC61641953

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2011 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) 0.51 4.39 -44.91 3 5 1 54 311.837 4
Hi High (pH 8-9.5) 0.51 1.91 -10.19 2 5 0 53 310.829 4

Activity (Go SEA)

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