UCSF

ZINC13549268

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 39 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) 4.36 11.07 -63.15 0 8 -1 97 530.597 12
Mid Mid (pH 6-8) 4.80 10.14 -14.75 1 8 0 95 531.605 11

Activity (Go SEA)

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