UCSF

ZINC22173075

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 21 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) 3.73 6.43 -52.86 3 3 1 50 277.347 4
Hi High (pH 8-9.5) 3.73 6.04 -7.64 2 3 0 48 276.339 4

Activity (Go SEA)

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