UCSF

ZINC23257062

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 26 No

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) 4.89 8.42 -184.56 8 4 3 75 373.694 22
Hi High (pH 8-9.5) 4.89 8.03 -102.46 7 4 2 74 372.686 22
Hi High (pH 8-9.5) 4.89 7.09 -103.41 7 4 2 71 372.686 22

Activity (Go SEA)

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