UCSF

ZINC41228105

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 15 Yes

Other Names:

MFCD28126118

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.24 4.44 -42.49 3 2 1 37 216.251 4
Hi High (pH 8-9.5) 2.24 3.94 -5.38 2 2 0 35 215.243 4

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Rings

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