UCSF

ZINC27714184

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 15 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) 1.51 7.68 -50.82 1 3 1 22 202.281 1
Hi High (pH 8-9.5) 1.51 5.23 -7.98 0 3 0 21 201.273 1
Lo Low (pH 4.5-6) 1.51 8.14 -94 2 3 2 24 203.289 1

Activity (Go SEA)

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