UCSF

ZINC04312099

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 26 No

Other Names:

MFCD01032038

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) 2.83 6.58 -56.91 1 5 -1 81 415.263 6
Lo Low (pH 4.5-6) 2.83 5.82 -12.5 2 5 0 78 416.271 6

Activity (Go SEA)

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