UCSF

ZINC37038497

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) 1.62 7.46 -104.58 4 4 2 52 271.449 8
Hi High (pH 8-9.5) 1.62 5.66 -48.55 3 4 1 51 270.441 8

Activity (Go SEA)

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