UCSF

ZINC63089758

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2011 15 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) 1.74 4 -38.85 4 4 1 63 214.333 5
Hi High (pH 8-9.5) 1.74 2.71 -4.04 3 4 0 62 213.325 5

Activity (Go SEA)

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