UCSF

ZINC38002421

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 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) 3.27 5.04 -48.33 4 3 1 56 313.244 2
Hi High (pH 8-9.5) 3.27 4.94 -7.76 3 3 0 55 312.236 2
Lo Low (pH 4.5-6) 3.27 5.49 -112.11 5 3 2 58 314.252 2

Activity (Go SEA)

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