UCSF

ZINC70517231

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 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) 3.31 6.67 -30.28 3 3 1 46 296.475 7
Hi High (pH 8-9.5) 3.31 5.49 -2.15 2 3 0 41 295.467 7

Activity (Go SEA)

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