UCSF

ZINC22148226

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 18 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) 1.89 2.7 -14.12 3 5 0 85 283.74 3
Hi High (pH 8-9.5) 1.89 2.77 -39.19 2 5 -1 87 282.732 3

Activity (Go SEA)

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