UCSF

ZINC20878891

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 22 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) 4.18 8.33 -56.57 1 4 -1 61 296.346 7
Lo Low (pH 4.5-6) 4.18 7.22 -10.99 2 4 0 59 297.354 7

Activity (Go SEA)

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