UCSF

ZINC25782612

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 34 No

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) 2.72 7.97 -29.23 4 12 1 151 468.542 8
Hi High (pH 8-9.5) 2.72 5.76 -10.98 3 12 0 150 467.534 8

Activity (Go SEA)

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