UCSF

ZINC31975696

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 23 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) 3.48 8.32 -54.94 3 4 1 54 308.405 5
Hi High (pH 8-9.5) 3.48 7.95 -11.44 2 4 0 53 307.397 5
Mid Mid (pH 6-8) 3.48 8.73 -102.49 4 4 2 55 309.413 5

Activity (Go SEA)

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