UCSF

ZINC37780054

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 3.04 7.17 -5.02 1 3 0 34 256.349 6
Lo Low (pH 4.5-6) 3.04 7.62 -34.75 2 3 1 35 257.357 6

Activity (Go SEA)

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