UCSF

ZINC39270819

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 17 Yes

Other Names:

MFCD11047353

N/A

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) 3.88 6.59 -30.09 2 3 1 43 265.123 1
Hi High (pH 8-9.5) 3.88 6.2 -38.41 0 3 -1 40 263.107 1
Mid Mid (pH 6-8) 3.88 7.06 -36.06 2 3 1 43 265.123 1
Mid Mid (pH 6-8) 3.88 6.62 -12.54 1 3 0 42 264.115 1

Activity (Go SEA)

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