UCSF

ZINC21949658

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 13 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) -0.53 -2.29 -59.53 5 4 1 77 184.215 3
Hi High (pH 8-9.5) -0.53 -2.88 -9.74 4 4 0 76 183.207 3

Activity (Go SEA)

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