UCSF

ZINC13569523

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 28 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) 2.61 8.75 -73.57 1 6 0 74 400.5 8
Mid Mid (pH 6-8) 3.06 9.04 -49.5 2 6 1 71 401.508 7

Activity (Go SEA)

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