UCSF

ZINC34699087

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 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) 5.01 11.9 -12.05 0 4 0 37 416.565 7
Lo Low (pH 4.5-6) 5.01 14.36 -39.42 1 4 1 38 417.573 7

Activity (Go SEA)

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