UCSF

ZINC21813414

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 18 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) 0.52 1.7 -56.24 4 7 1 120 274.322 5
Hi High (pH 8-9.5) 0.52 1.43 -54.76 3 7 0 122 273.314 5

Activity (Go SEA)

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