UCSF

ZINC01677154

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2005 19 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) 2.11 9.68 -23.09 0 3 0 51 254.285 4
Mid Mid (pH 6-8) 2.69 9.77 -52.56 0 3 -1 57 253.277 3

Activity (Go SEA)

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