UCSF

ZINC35085418

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 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) 2.60 7.11 -23.34 2 9 0 110 488.61 11
Hi High (pH 8-9.5) 2.42 6.1 -56.92 1 9 -1 116 487.602 11

Activity (Go SEA)

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