UCSF

ZINC25934938

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 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) 2.90 6.84 -9.01 0 4 0 43 291.372 4
Lo Low (pH 4.5-6) 2.90 9.08 -42.79 1 4 1 44 292.38 4

Activity (Go SEA)

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