UCSF

ZINC44269577

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 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) 4.56 5.95 -6.63 2 3 0 52 264.756 4
Lo Low (pH 4.5-6) 4.56 5.89 -25.71 3 3 1 53 265.764 4

Activity (Go SEA)

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