UCSF

ZINC37795253

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 0.73 5.04 -63.15 1 7 -1 96 296.347 8
Lo Low (pH 4.5-6) 0.73 3.17 -15.72 2 7 0 93 297.355 8

Activity (Go SEA)

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