UCSF

ZINC53156553

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 21 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) 3.61 6.35 -9.21 2 3 0 41 312.816 5
Lo Low (pH 4.5-6) 3.61 7.61 -50.07 3 3 1 46 313.824 5

Activity (Go SEA)

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