UCSF

ZINC04835367

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2006 20 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) 2.70 8.34 -9.64 1 3 0 42 286.4 4
Lo Low (pH 4.5-6) 2.70 8.62 -40.26 2 3 1 43 287.408 4

Activity (Go SEA)

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