UCSF

ZINC33657634

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2009 27 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) 6.53 13.22 -10.41 0 3 0 27 397.305 5
Lo Low (pH 4.5-6) 6.53 13.63 -32.83 1 3 1 28 398.313 5

Activity (Go SEA)

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