UCSF

ZINC13807401

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 23 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) 5.28 9.37 -11.01 1 4 0 58 324.405 3
Mid Mid (pH 6-8) 4.79 8.99 -47.68 0 4 -1 57 323.397 4

Activity (Go SEA)

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