UCSF

ZINC33374817

Substance Information

In ZINC since Heavy atoms Benign functionality
July 8th, 2009 31 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) 4.35 11.48 -59.94 0 5 -1 70 430.505 8
Lo Low (pH 4.5-6) 4.35 10.66 -13.82 1 5 0 67 431.513 8

Activity (Go SEA)

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