UCSF

ZINC37793733

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) 1.82 4.82 -57.49 1 6 -1 95 285.279 4
Lo Low (pH 4.5-6) 1.82 2.82 -17.65 2 6 0 92 286.287 4

Activity (Go SEA)

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