UCSF

ZINC41650097

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 Yes

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) 4.04 8.71 -35.6 2 3 1 37 407.17 6
Hi High (pH 8-9.5) 4.04 7.83 -6.07 1 3 0 32 406.162 6

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Rings

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