UCSF

ZINC04859700

Substance Information

In ZINC since Heavy atoms Benign functionality
January 8th, 2006 21 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) 4.70 7.81 -38.08 3 2 1 37 286.439 4
Hi High (pH 8-9.5) 4.70 8.56 -31.07 2 2 0 40 285.431 4

Activity (Go SEA)

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