UCSF

ZINC33175154

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2009 20 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) 1.92 9.67 -24.4 1 6 0 72 268.276 3
Hi High (pH 8-9.5) 2.10 8.56 -57.75 0 6 -1 79 267.268 3

Activity (Go SEA)

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