UCSF

ZINC00438265

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 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) 1.83 4.43 -8.63 0 4 0 44 240.262 3
Lo Low (pH 4.5-6) 1.83 4.71 -36.41 1 4 1 45 241.27 3

Activity (Go SEA)

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