UCSF

ZINC03089282

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 16 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) -1.94 -6.54 -9.58 3 6 0 91 223.232 5
Lo Low (pH 4.5-6) -1.94 -6.43 -39.59 4 6 1 92 224.24 5

Activity (Go SEA)

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