UCSF

ZINC21220324

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 23 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) 2.62 6.38 -10.56 1 4 0 55 317.27 3
Lo Low (pH 4.5-6) 2.62 6.85 -43.89 2 4 1 56 318.278 3

Activity (Go SEA)

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