UCSF

ZINC36876661

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 21 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) 3.51 8.37 -38.01 3 3 1 45 278.379 2
Hi High (pH 8-9.5) 3.51 7.84 -8.55 2 3 0 41 277.371 2
Lo Low (pH 4.5-6) 3.51 8.86 -112.73 4 3 2 47 279.387 2

Activity (Go SEA)

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