UCSF

ZINC28092721

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2009 38 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) 2.21 12.69 -19.24 0 13 0 168 526.502 8
Lo Low (pH 4.5-6) 2.21 14.17 -68.99 1 13 1 169 527.51 8

Activity (Go SEA)

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