UCSF

ZINC05408181

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 31 No

Other Names:

MFCD03213513

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) 4.71 11.7 -54.91 0 5 -1 74 418.444 6
Mid Mid (pH 6-8) 5.16 3.28 -17.93 1 5 0 70 419.452 5

Activity (Go SEA)

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