UCSF

ZINC36996390

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 2.65 8.92 -74.8 3 3 2 21 281.488 4
Hi High (pH 8-9.5) 2.65 6.67 -32.37 2 3 1 20 280.48 4
Lo Low (pH 4.5-6) 2.65 9.99 -183.54 4 3 3 25 282.496 4

Activity (Go SEA)

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