UCSF

ZINC40434629

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 13 Yes

Other Names:

MFCD11042747

N/A

NA

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) 1.22 1.98 -45.63 3 3 1 45 192.164 1
Hi High (pH 8-9.5) 1.22 0.35 -33.62 1 3 -1 39 190.148 1
Hi High (pH 8-9.5) 1.22 1.72 -44.62 2 3 0 44 191.156 1
Mid Mid (pH 6-8) 1.22 1.86 -52.65 3 3 1 45 192.164 1

Activity (Go SEA)

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

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