UCSF

ZINC33317829

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 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) 3.64 7.93 -53.37 0 11 -1 152 476.421 7
Lo Low (pH 4.5-6) 3.19 10.48 -18.67 1 11 0 149 477.429 7

Activity (Go SEA)

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