UCSF

ZINC37000230

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 14 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) 0.93 4.77 -39.62 2 3 1 34 217.72 2
Hi High (pH 8-9.5) 1.11 2.85 -40.48 1 3 0 40 216.712 2

Activity (Go SEA)

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