UCSF

ZINC00352039

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 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) 3.00 4.18 -8.69 0 3 0 39 210.236 1
Lo Low (pH 4.5-6) 3.00 4.65 -37.92 1 3 1 40 211.244 1

Activity (Go SEA)

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