UCSF

ZINC20070358

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 14 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) 1.02 2.49 -43.45 3 3 1 46 211.207 3
Hi High (pH 8-9.5) 1.02 2.25 -7.05 2 3 0 41 210.199 3

Activity (Go SEA)

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