UCSF

ZINC34970071

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 5.76 12.73 -9.2 1 5 0 53 461.65 12
Mid Mid (pH 6-8) 5.76 14.98 -51.37 2 5 1 54 462.658 12

Activity (Go SEA)

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