UCSF

ZINC19685150

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 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) 0.90 2.87 -101.19 4 3 2 41 188.315 4
Hi High (pH 8-9.5) 0.90 1.3 -38.32 3 3 1 37 187.307 4

Activity (Go SEA)

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