UCSF

ZINC17971912

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 12 Yes

Other Names:

MFCD02693799

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) 2.18 6.12 -6.76 1 3 0 42 224.116 3
Hi High (pH 8-9.5) 2.18 5.96 -38.17 0 3 -1 40 223.108 3

Activity (Go SEA)

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