UCSF

ZINC22218720

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 16 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) 1.57 4.05 -42.67 4 4 1 60 242.73 3
Hi High (pH 8-9.5) 1.57 1.68 -13.85 3 4 0 58 241.722 3

Activity (Go SEA)

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