UCSF

ZINC33790427

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 35 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) 5.79 12.18 -46.36 0 7 -1 96 487.557 8
Lo Low (pH 4.5-6) 5.79 11.05 -24.65 1 7 0 93 488.565 8

Activity (Go SEA)

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