UCSF

ZINC00279015

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2005 20 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) 3.77 8.39 -39.7 2 2 1 25 311.232 6
Hi High (pH 8-9.5) 3.77 6.49 -6.27 1 2 0 23 310.224 6

Activity (Go SEA)

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