UCSF

ZINC44264064

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 14 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) -0.75 3.18 -57.99 4 4 1 69 191.258 2
Hi High (pH 8-9.5) -0.75 1.68 -39.33 3 4 0 68 190.25 2
Hi High (pH 8-9.5) -0.75 2.93 -7.14 3 4 0 68 190.25 2

Activity (Go SEA)

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