UCSF

ZINC19385101

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 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) 2.71 6.61 -49.9 3 2 1 31 245.321 4
Hi High (pH 8-9.5) 2.71 6.22 -5.39 2 2 0 29 244.313 4

Activity (Go SEA)

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