UCSF

ZINC42450332

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 2.70 3.21 -43.33 3 3 1 40 255.426 3
Lo Low (pH 4.5-6) 2.70 4.98 -120.02 4 3 2 41 256.434 3

Activity (Go SEA)

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