UCSF

ZINC05698911

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 14 No

Other Names:

MFCD09753444

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) 0.56 1.6 -9.03 2 6 0 95 196.162 2
Hi High (pH 8-9.5) 0.56 2.37 -40.67 1 6 -1 98 195.154 2

Activity (Go SEA)

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