UCSF

ZINC37780634

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) 3.13 6.95 -5.98 1 3 0 34 256.349 5
Lo Low (pH 4.5-6) 3.13 7.41 -37.78 2 3 1 35 257.357 5

Activity (Go SEA)

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