UCSF

ZINC36746234

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 15 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) -1.44 2.11 -48.41 1 6 -1 90 213.213 4
Lo Low (pH 4.5-6) -1.44 0.11 -16.75 2 6 0 87 214.221 4

Activity (Go SEA)

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