UCSF

ZINC04424129

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2005 31 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) 4.58 12.63 -13.43 1 9 0 100 429.521 11
Lo Low (pH 4.5-6) 4.75 12.8 -34.59 2 9 1 105 430.529 11

Activity (Go SEA)

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