UCSF

ZINC36279048

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 19 Yes

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) -0.01 0.15 -49.09 3 5 1 66 284.405 5
Lo Low (pH 4.5-6) -0.01 2.43 -131.47 4 5 2 67 285.413 5
Lo Low (pH 4.5-6) -0.01 1.09 -48.44 3 5 1 63 284.405 5

Activity (Go SEA)

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