UCSF

ZINC33780754

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 33 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) 4.80 12.38 -44.84 0 5 -1 70 444.482 8
Lo Low (pH 4.5-6) 4.80 11.25 -20.4 1 5 0 67 445.49 8

Activity (Go SEA)

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