UCSF

ZINC37087345

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 1.99 6.56 -42.58 2 4 1 44 286.399 4
Lo Low (pH 4.5-6) 1.99 6.72 -105.49 3 4 2 45 287.407 4

Activity (Go SEA)

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