UCSF

ZINC33790036

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 36 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) 6.65 14.12 -41.24 0 6 -1 83 518.014 7
Lo Low (pH 4.5-6) 6.65 12.99 -21.85 1 6 0 80 519.022 7

Activity (Go SEA)

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