UCSF

ZINC13127834

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 29 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) 2.46 8.35 -69.16 1 7 0 87 398.459 8
Lo Low (pH 4.5-6) 2.46 7.61 -46.9 2 7 1 84 399.467 8

Activity (Go SEA)

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