UCSF

ZINC20308107

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 31 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) 2.24 7.73 -13.01 0 7 0 76 419.481 5
Lo Low (pH 4.5-6) 2.24 10.88 -97.44 2 7 2 78 421.497 5

Activity (Go SEA)

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