UCSF

ZINC37801768

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) -0.72 0 -44.32 5 6 1 104 263.321 6
Hi High (pH 8-9.5) -0.72 -0.29 -12.42 4 6 0 102 262.313 6
Lo Low (pH 4.5-6) -0.72 0.47 -95.23 6 6 2 105 264.329 6

Activity (Go SEA)

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