UCSF

ZINC34681948

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 35 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) 4.62 13.36 -42.51 2 6 1 59 485.53 7
Lo Low (pH 4.5-6) 4.62 13.72 -97.72 3 6 2 60 486.538 7

Activity (Go SEA)

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