UCSF

ZINC36996414

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 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 9.83 -32.92 2 2 1 16 338.313 4
Hi High (pH 8-9.5) 3.51 7.57 -1.76 1 2 0 15 337.305 4
Lo Low (pH 4.5-6) 3.51 10.63 -111.39 3 2 2 21 339.321 4

Activity (Go SEA)

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