UCSF

ZINC20586850

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 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) 2.15 5.42 -30 1 3 1 17 241.399 4
Hi High (pH 8-9.5) 2.15 3.25 -2.88 0 3 0 16 240.391 4
Hi High (pH 8-9.5) 2.15 5.66 -29.72 1 3 1 17 241.399 4

Activity (Go SEA)

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