UCSF

ZINC49090321

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 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) 2.39 8.01 -39.14 2 5 1 50 279.408 8
Hi High (pH 8-9.5) 2.39 5.99 -9.35 1 5 0 48 278.4 8
Mid Mid (pH 6-8) 2.39 8.35 -81.83 3 5 2 51 280.416 8

Activity (Go SEA)

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