UCSF

ZINC53156855

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 18 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) 2.30 4.24 -50.95 4 3 1 57 271.743 4
Hi High (pH 8-9.5) 2.30 3.94 -7.47 3 3 0 55 270.735 4

Activity (Go SEA)

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