UCSF

ZINC08821749

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 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) 6.29 10.22 -47.34 0 6 -1 72 459.547 8
Lo Low (pH 4.5-6) 6.29 11.03 -14.63 1 6 0 70 460.555 8

Activity (Go SEA)

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