UCSF

ZINC33315040

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2009 30 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) 4.89 11.32 -14.63 2 5 0 61 396.494 2
Lo Low (pH 4.5-6) 4.89 11.76 -56.85 3 5 1 62 397.502 2

Activity (Go SEA)

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