UCSF

ZINC37144634

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 20 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) 2.70 8.38 -35.26 3 3 1 40 295.472 9
Hi High (pH 8-9.5) 2.70 6.6 -11.16 2 3 0 38 294.464 9

Activity (Go SEA)

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