UCSF

ZINC40092478

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 26 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) -0.98 0.55 -23.02 1 8 0 100 383.47 5
Lo Low (pH 4.5-6) -0.98 2.66 -74 2 8 1 101 384.478 5

Activity (Go SEA)

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