UCSF

ZINC44240624

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 20 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) 1.69 4.36 -49.57 3 6 1 81 299.372 5
Hi High (pH 8-9.5) 1.69 2.98 -8.26 2 6 0 77 298.364 5

Activity (Go SEA)

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