UCSF

ZINC47521448

Substance Information

In ZINC since Heavy atoms Benign functionality
September 3rd, 2010 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) 2.26 5.55 -23.12 2 9 0 120 417.443 6
Hi High (pH 8-9.5) 2.26 6.55 -67.14 1 9 -1 122 416.435 6

Activity (Go SEA)

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