UCSF

ZINC33959450

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2009 34 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) 3.03 7.68 -22.69 2 10 0 129 467.526 11
Lo Low (pH 4.5-6) 3.03 9.43 -54.25 3 10 1 130 468.534 11

Activity (Go SEA)

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