UCSF

ZINC00700527

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 34 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 9.43 -12.91 1 6 0 64 481.662 12
Lo Low (pH 4.5-6) 4.34 11.41 -53.78 2 6 1 65 482.67 12

Activity (Go SEA)

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