UCSF

ZINC25074401

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 29 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) 4.38 9.43 -50.67 2 6 1 61 399.511 9
Hi High (pH 8-9.5) 4.38 7.3 -15.57 1 6 0 60 398.503 9

Activity (Go SEA)

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