UCSF

ZINC52212537

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 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) 3.47 7.99 -7.01 0 2 0 18 255.148 2
Lo Low (pH 4.5-6) 3.47 8.43 -27.58 1 2 1 19 256.156 2

Activity (Go SEA)

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