UCSF

ZINC08659689

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2007 27 No

Other Names:

MFCD02954051

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) 6.11 8.48 -9.43 1 5 0 64 402.903 5
Ref Reference (pH 7) 6.11 8.11 -9.43 1 5 0 64 402.903 5
Hi High (pH 8-9.5) 6.11 8.89 -37.57 0 5 -1 67 401.895 5
Hi High (pH 8-9.5) 6.11 9.26 -38.51 0 5 -1 67 401.895 5

Activity (Go SEA)

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