UCSF

ZINC34026706

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2009 36 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) 5.28 15.2 -17.17 2 5 0 66 517.46 6
Mid Mid (pH 6-8) 5.28 15.66 -52.35 3 5 1 67 518.468 6

Activity (Go SEA)

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