UCSF

ZINC13424055

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 28 No

Other Names:

MFCD02733320

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) 5.52 8.26 -10.9 1 6 0 73 418.902 6
Mid Mid (pH 6-8) 5.03 7.82 -42.09 0 6 -1 72 417.894 7

Activity (Go SEA)

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