UCSF

ZINC37826017

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 Yes

Other Names:

MFCD13247332

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) 1.13 6.13 -91.16 4 4 2 52 271.449 5
Hi High (pH 8-9.5) 1.13 5.81 -42.78 3 4 1 51 270.441 5

Activity (Go SEA)

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