UCSF

ZINC39326688

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 33 No

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) 4.01 7.87 -16.6 2 7 0 98 443.503 4
Lo Low (pH 4.5-6) 4.01 8.22 -59.68 3 7 1 99 444.511 4

Activity (Go SEA)

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