UCSF

ZINC18136853

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 27 No

Other Names:

MFCD01020391

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) 2.84 7.6 -13.61 2 7 0 92 359.389 4
Ref Reference (pH 7) 2.84 7.48 -19.44 2 7 0 92 359.389 4
Mid Mid (pH 6-8) 2.84 7.57 -17.68 2 7 0 92 359.389 4
Mid Mid (pH 6-8) 2.84 7.44 -21.23 2 7 0 92 359.389 4

Activity (Go SEA)

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