UCSF

ZINC36997092

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 2.93 8.62 -33.45 2 2 1 16 257.401 2
Hi High (pH 8-9.5) 2.93 6.37 -2.06 1 2 0 15 256.393 2
Lo Low (pH 4.5-6) 2.93 9.67 -115.92 3 2 2 21 258.409 2

Activity (Go SEA)

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