UCSF

ZINC33761839

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 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) 3.59 10.31 -58.56 0 8 -1 97 482.553 13
Lo Low (pH 4.5-6) 3.59 9.03 -22.13 1 8 0 95 483.561 13

Activity (Go SEA)

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