UCSF

ZINC34627238

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 25 No

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) 1.91 9.13 -48.26 2 9 1 105 352.415 9
Mid Mid (pH 6-8) 1.91 6.78 -11.02 1 9 0 104 351.407 9

Activity (Go SEA)

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