UCSF

ZINC53156447

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 19 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) 3.14 5.28 -11.04 2 3 0 41 286.778 7
Lo Low (pH 4.5-6) 3.14 6.45 -49.94 3 3 1 46 287.786 7

Activity (Go SEA)

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