UCSF

ZINC36532688

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2009 13 Yes

Other Names:

MFCD11505661

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) -0.08 5.5 -57.78 3 4 1 58 175.215 2
Hi High (pH 8-9.5) -0.08 5.1 -9.52 2 4 0 57 174.207 2

Activity (Go SEA)

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

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