UCSF

ZINC25761183

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 21 No

Other Names:

MFCD00017581

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) -0.75 -2.29 -33.72 5 6 1 112 287.247 1
Hi High (pH 8-9.5) -0.75 -1.5 -35.89 4 6 0 115 286.239 1

Activity (Go SEA)

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