UCSF

ZINC04258457

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 22 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) 3.51 8.82 -8.59 1 4 0 41 310.426 5
Lo Low (pH 4.5-6) 3.51 9.19 -31.85 2 4 1 42 311.434 5

Activity (Go SEA)

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