UCSF

ZINC33698352

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 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) 4.01 11.43 -39.91 0 6 -1 83 453.518 8
Lo Low (pH 4.5-6) 4.01 10.29 -16.66 1 6 0 80 454.526 8
Lo Low (pH 4.5-6) 4.01 10.72 -51.99 2 6 1 81 455.534 8

Activity (Go SEA)

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