UCSF

ZINC19677248

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 18 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) 0.24 3.3 -56.55 3 5 1 68 256.37 4
Hi High (pH 8-9.5) 0.24 3.03 -12.95 2 5 0 67 255.362 4

Activity (Go SEA)

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