UCSF

ZINC34623651

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 29 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) 2.92 7.97 -14.32 2 7 0 95 429.933 5
Lo Low (pH 4.5-6) 2.92 8.25 -34.03 3 7 1 97 430.941 5

Activity (Go SEA)

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