UCSF

ZINC37814613

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 1.18 5.28 -9.13 1 4 0 42 274.364 5
Lo Low (pH 4.5-6) 1.18 6.39 -37.82 2 4 1 46 275.372 5

Activity (Go SEA)

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