UCSF

ZINC34583952

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 17 No

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) 2.28 8.82 -42.64 1 2 1 22 230.331 1
Hi High (pH 8-9.5) 2.28 7.19 -4.88 0 2 0 20 229.323 1

Activity (Go SEA)

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