UCSF

ZINC45697388

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 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) 0.97 5.4 -101.15 4 5 2 60 298.427 11
Hi High (pH 8-9.5) 0.97 4.06 -40.37 3 5 1 55 297.419 11

Activity (Go SEA)

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