UCSF

ZINC44264425

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 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) 0.41 5.06 -60.96 4 4 1 69 231.323 2
Hi High (pH 8-9.5) 0.41 3.58 -40.32 3 4 0 68 230.315 2
Hi High (pH 8-9.5) 0.41 4.76 -7.19 3 4 0 68 230.315 2

Activity (Go SEA)

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