UCSF

ZINC34681570

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 34 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) 4.92 13.27 -53.62 2 6 1 59 471.503 7
Mid Mid (pH 6-8) 4.92 11.05 -14.76 1 6 0 58 470.495 7

Activity (Go SEA)

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