UCSF

ZINC42582038

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 16 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) 2.15 6.77 -112.87 4 2 2 32 226.408 4
Hi High (pH 8-9.5) 2.15 5.4 -40 3 2 1 31 225.4 4
Hi High (pH 8-9.5) 2.15 6.46 -28.14 3 2 1 30 225.4 4

Activity (Go SEA)

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