UCSF

ZINC53648568

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 16 Yes

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) 2.58 6.51 -32.11 2 2 1 20 304.277 5
Lo Low (pH 4.5-6) 2.58 8.29 -102.85 3 2 2 21 305.285 5

Activity (Go SEA)

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