UCSF

ZINC02098641

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 21 No

Other Names:

MFCD02174177

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) 1.33 4.08 -11.14 2 6 0 83 282.303 4
Hi High (pH 8-9.5) 0.98 3.51 -50.72 1 6 -1 90 281.295 4

Activity (Go SEA)

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