UCSF

ZINC36754357

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 17 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) 1.48 2.97 -34.39 3 4 1 56 238.355 3
Lo Low (pH 4.5-6) 1.48 3.29 -106.5 4 4 2 58 239.363 3

Activity (Go SEA)

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