UCSF

ZINC34627239

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 26 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) 2.41 9.92 -48.82 2 9 1 105 366.442 10
Mid Mid (pH 6-8) 2.41 7.57 -11.31 1 9 0 104 365.434 10

Activity (Go SEA)

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