UCSF

ZINC45663562

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 21 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) 3.25 7.95 -105.33 4 3 2 35 313.917 9
Hi High (pH 8-9.5) 3.25 6.55 -35.96 3 3 1 34 312.909 9

Activity (Go SEA)

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