UCSF

ZINC08846140

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 32 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) 4.43 1.9 -15.3 0 8 0 109 492.285 3
Lo Low (pH 4.5-6) 4.43 2.03 -39.31 1 8 1 110 493.293 3

Activity (Go SEA)

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