UCSF

ZINC37144356

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 19 No

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) -1.17 1.27 -54.6 5 6 1 94 287.409 7
Hi High (pH 8-9.5) -1.41 -0.12 -57.27 4 6 0 98 286.401 7

Activity (Go SEA)

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