UCSF

ZINC34686031

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 33 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) 2.46 9.04 -22.57 0 7 0 62 475.948 6
Mid Mid (pH 6-8) 2.46 11.22 -58.71 1 7 1 64 476.956 6

Activity (Go SEA)

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