UCSF

ZINC42875161

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 2.12 5.24 -10.75 0 5 0 58 271.272 5
Lo Low (pH 4.5-6) 2.12 5.7 -43.79 1 5 1 59 272.28 5

Activity (Go SEA)

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