UCSF

ZINC36754189

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 13 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) -0.27 2.47 -41.29 3 4 1 56 182.247 2
Lo Low (pH 4.5-6) -0.27 2.8 -112.1 4 4 2 58 183.255 2

Activity (Go SEA)

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