UCSF

ZINC39581740

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 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) 2.30 6.85 -115.49 3 2 2 21 224.392 1
Hi High (pH 8-9.5) 2.30 5.67 -37.78 2 2 1 20 223.384 1
Mid Mid (pH 6-8) 2.30 5.59 -29.78 2 2 1 16 223.384 1

Activity (Go SEA)

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