UCSF

ZINC59986739

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 27 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) 2.77 10.58 -97.73 4 6 2 86 384.561 12
Hi High (pH 8-9.5) 2.77 9.4 -47.75 3 6 1 81 383.553 12

Activity (Go SEA)

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