UCSF

ZINC37819211

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) -1.11 3.33 -90.19 4 6 2 73 272.393 4
Hi High (pH 8-9.5) -1.11 0.94 -47.88 3 6 1 71 271.385 4
Hi High (pH 8-9.5) -1.11 3.03 -42.62 3 6 1 71 271.385 4

Activity (Go SEA)

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