UCSF

ZINC15016100

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 25 No

Other Names:

MFCD03080256

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) 5.44 7.38 -8.17 2 5 0 78 369.833 1
Ref Reference (pH 7) 5.44 7.08 -8.36 2 5 0 78 369.833 1
Mid Mid (pH 6-8) 5.90 5.15 -42.84 1 5 -1 81 368.825 1
Mid Mid (pH 6-8) 5.90 5.29 -43.91 1 5 -1 81 368.825 1
Mid Mid (pH 6-8) 5.90 5.43 -42.51 1 5 -1 81 368.825 1
Mid Mid (pH 6-8) 5.90 5.78 -41.91 1 5 -1 81 368.825 1
Mid Mid (pH 6-8) 5.41 5.06 -101.06 0 5 -2 80 367.817 2

Activity (Go SEA)

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