UCSF

ZINC00389487

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 12 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) 1.67 4.94 -4.56 0 2 0 22 165.236 4
Lo Low (pH 4.5-6) 1.67 5.22 -30.13 1 2 1 23 166.244 4

Activity (Go SEA)

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