UCSF

ZINC34617177

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 33 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) 6.16 15.46 -13.09 0 5 0 68 437.543 8
Lo Low (pH 4.5-6) 6.16 16.47 -27.99 1 5 1 69 438.551 8

Activity (Go SEA)

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