UCSF

ZINC21965289

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 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) 1.45 2.23 -41.26 3 4 1 49 239.339 7
Hi High (pH 8-9.5) 1.45 3.16 -35.42 2 4 0 52 238.331 7
Mid Mid (pH 6-8) 1.45 3.64 -41.91 3 4 1 46 239.339 7

Activity (Go SEA)

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