UCSF

ZINC41720241

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 15 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) 0.76 1.19 -35.22 4 4 1 69 202.237 3
Hi High (pH 8-9.5) 0.76 0.76 -12.23 3 4 0 68 201.229 3

Activity (Go SEA)

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