UCSF

ZINC20216987

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 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) 1.63 5.8 -93.17 3 2 2 21 186.343 4
Hi High (pH 8-9.5) 1.63 3.84 -39.65 2 2 1 20 185.335 4
Hi High (pH 8-9.5) 1.63 4.4 -29.93 2 2 1 16 185.335 4

Activity (Go SEA)

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