UCSF

ZINC33617447

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2009 29 No

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) 6.41 12.12 -7.55 0 5 0 53 410.539 8
Lo Low (pH 4.5-6) 2.18 12.42 -27.34 1 5 1 51 411.547 9

Activity (Go SEA)

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