UCSF

ZINC45699879

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 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) 2.06 7.15 -106.45 4 3 2 41 302.409 9
Hi High (pH 8-9.5) 2.06 5.78 -37.36 3 3 1 37 301.401 9

Activity (Go SEA)

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