UCSF

ZINC13804764

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 37 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) 4.48 12.84 -10.04 0 10 0 114 503.511 7
Ref Reference (pH 7) 4.48 13.33 -12.68 0 10 0 114 503.511 7

Activity (Go SEA)

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