UCSF

ZINC48579442

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 4.03 8.81 -46.78 2 3 1 34 316.252 5
Hi High (pH 8-9.5) 4.03 6.56 -8.75 1 3 0 32 315.244 5

Activity (Go SEA)

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