UCSF

ZINC41044004

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 15 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) 1.34 1.3 -8.64 2 4 0 63 246.357 2
Lo Low (pH 4.5-6) 1.34 1.15 -53.91 3 4 1 65 247.365 2

Activity (Go SEA)

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