UCSF

ZINC31994307

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 13 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) 0.27 3.26 -86.12 3 3 2 24 187.331 4
Hi High (pH 8-9.5) 0.27 1.85 -35.47 2 3 1 20 186.323 4

Activity (Go SEA)

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