UCSF

ZINC13130250

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 26 No

Other Names:

MFCD02219535

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) 3.27 11.17 -59.44 0 5 -1 67 349.41 5
Hi High (pH 8-9.5) 3.21 11.35 -52.63 1 5 -1 70 349.41 5

Activity (Go SEA)

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