UCSF

ZINC41720539

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 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) 2.40 2.52 -27.98 3 3 1 46 203.265 3
Hi High (pH 8-9.5) 2.40 2.09 -8 2 3 0 45 202.257 3

Activity (Go SEA)

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