UCSF

ZINC43260102

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 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) 2.07 4.93 -53.01 3 3 1 44 341.298 5
Hi High (pH 8-9.5) 2.07 4.51 -4.27 2 3 0 42 340.29 5
Lo Low (pH 4.5-6) 2.07 5.33 -97.13 4 3 2 45 342.306 5

Activity (Go SEA)

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