UCSF

ZINC39134253

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 32 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) 1.40 6.45 -19.41 0 8 0 75 438.528 3
Lo Low (pH 4.5-6) 1.40 8.91 -58.33 1 8 1 76 439.536 3

Activity (Go SEA)

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