UCSF

ZINC34198321

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2009 28 Yes

Other Names:

MFCD00151081

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) 3.21 6.13 -63.22 2 7 -1 116 375.312 1
Hi High (pH 8-9.5) 3.21 6.89 -107.72 1 7 -2 119 374.304 1

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.