UCSF

ZINC08770501

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 22 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) 0.19 1.45 -49.92 3 7 -1 102 319.366 5
Lo Low (pH 4.5-6) -0.27 2.52 -14.43 4 7 0 99 320.374 5

Activity (Go SEA)

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