UCSF

ZINC35616517

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 24 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) 4.34 9.88 -15.79 2 5 0 62 336.782 3
Lo Low (pH 4.5-6) 4.34 10.32 -30.17 3 5 1 64 337.79 3

Activity (Go SEA)

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