UCSF

ZINC42763693

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 4.64 9.33 -29.79 1 3 1 30 326.917 4
Hi High (pH 8-9.5) 4.64 7.67 -5.37 0 3 0 29 325.909 4

Activity (Go SEA)

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