UCSF

ZINC37040210

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) -0.02 -1.11 -56.43 6 6 1 106 280.348 7
Hi High (pH 8-9.5) -0.02 -1.43 -17.21 5 6 0 104 279.34 7

Activity (Go SEA)

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