UCSF

ZINC19843207

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 19 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) 1.66 5.05 -121.09 5 4 2 61 263.385 4
Hi High (pH 8-9.5) 1.66 2.79 -49.56 4 4 1 60 262.377 4

Activity (Go SEA)

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