UCSF

ZINC29571754

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2009 30 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) 6.05 13.68 -40.34 2 3 1 34 422.976 9
Hi High (pH 8-9.5) 6.05 11.38 -8.48 1 3 0 33 421.968 9

Activity (Go SEA)

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