UCSF

ZINC19870490

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 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) 1.10 1.9 -43.62 3 3 1 50 179.243 4
Hi High (pH 8-9.5) 1.10 1.5 -5.29 2 3 0 48 178.235 4

Activity (Go SEA)

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