UCSF

ZINC37234476

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 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) 1.63 6.05 -41.66 2 3 1 28 239.314 2
Hi High (pH 8-9.5) 1.63 4.03 -4.02 1 3 0 27 238.306 2

Activity (Go SEA)

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