UCSF

ZINC19962907

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 17 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) 2.44 7.16 -51.82 2 3 1 50 233.335 7
Hi High (pH 8-9.5) 2.44 5.92 -6.5 1 3 0 45 232.327 7

Activity (Go SEA)

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