UCSF

ZINC22076702

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 26 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) 6.41 13.47 -43.05 2 2 1 26 431.781 7
Hi High (pH 8-9.5) 6.41 11.98 -4.85 1 2 0 21 430.773 7

Activity (Go SEA)

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