UCSF

ZINC08438674

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 29 No

Other Names:

MFCD03779453

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) 2.89 6.37 -62.12 1 6 -1 90 459.316 8
Mid Mid (pH 6-8) 3.34 -3.58 -26.77 2 6 0 87 460.324 7
Mid Mid (pH 6-8) 2.31 -3.37 -16.21 1 6 0 83 460.324 8

Activity (Go SEA)

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