UCSF

ZINC37177092

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 2.53 7.41 -11.35 1 6 0 76 274.324 4
Lo Low (pH 4.5-6) 2.53 7.53 -35.52 2 6 1 77 275.332 4

Activity (Go SEA)

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