UCSF

ZINC00973924

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 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) 3.69 0.54 -10.52 1 5 0 66 416.271 4
Mid Mid (pH 6-8) 3.11 0.31 -18.43 0 5 0 63 416.271 4

Activity (Go SEA)

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