UCSF

ZINC34660143

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 15 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) 1.82 6.1 -54.79 2 5 1 72 211.241 5
Hi High (pH 8-9.5) 1.82 4.65 -10.4 1 5 0 67 210.233 5

Activity (Go SEA)

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