UCSF

ZINC33706639

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 28 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) 3.42 7.5 -14.32 1 7 0 80 462.325 3
Lo Low (pH 4.5-6) -0.25 7.9 -42.93 2 7 1 80 463.333 4

Activity (Go SEA)

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