UCSF

ZINC42781019

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 18 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) 2.18 6.04 -14.65 2 3 0 42 275.299 5
Lo Low (pH 4.5-6) 2.18 6.38 -46.86 3 3 1 43 276.307 5

Activity (Go SEA)

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