UCSF

ZINC20226729

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 16 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) 2.87 4.73 -44.75 3 2 1 31 262.204 5
Hi High (pH 8-9.5) 2.87 6.49 -32.26 3 2 1 30 262.204 5
Mid Mid (pH 6-8) 2.87 6.73 -123.71 4 2 2 32 263.212 5

Activity (Go SEA)

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