UCSF

ZINC16532927

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2008 32 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) 2.33 8.91 -22.84 1 7 0 89 429.476 7
Lo Low (pH 4.5-6) 2.33 9.19 -48.8 2 7 1 90 430.484 7

Activity (Go SEA)

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