UCSF

ZINC39320399

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 15 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) 2.63 8.44 -30.32 3 3 1 45 267.15 2
Hi High (pH 8-9.5) 2.63 7.95 -7.62 2 3 0 44 266.142 2

Activity (Go SEA)

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