UCSF

ZINC59537440

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 18 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) 0.93 2.09 -37.98 5 4 1 66 250.366 4
Lo Low (pH 4.5-6) 0.93 2.51 -95.91 6 4 2 67 251.374 4

Activity (Go SEA)

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